6-cyclohexyl-4-methyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-4-methyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-cyclohexyl-4-methyl-thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-4-methyl-5-(4-phenylmethoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 6-cyclohexyl-4-methyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-4-methyl-thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

Isomeric SMILES

CN1C2=C(C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

InChI

InChI=1S/C27H27NO3S/c1-28-22-16-23(27(29)30)32-26(22)24(19-10-6-3-7-11-19)25(28)20-12-14-21(15-13-20)31-17-18-8-4-2-5-9-18/h2,4-5,8-9,12-16,19H,3,6-7,10-11,17H2,1H3,(H,29,30)